MétaCan
Menu
Back to cohort
Record W2321474794 · doi:10.1021/jp204783g

Ab Initio Investigation of the Hydration of the Tetrahedral Perchlorate, Perbromate, Selenate, Arsenate, and Vanadate Anions

2011· article· en· W2321474794 on OpenAlexafffund
Cory C. Pye, Victoria E. J. Walker

Bibliographic record

VenueThe Journal of Physical Chemistry A · 2011
Typearticle
Languageen
FieldEarth and Planetary Sciences
TopicAtmospheric Ozone and Climate
Canadian institutionsSaint Mary's University
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsArsenateVanadatePerchlorateSelenateAb initioChemistryTetrahedronInorganic chemistryCluster (spacecraft)Ab initio quantum chemistry methodsIonRaman spectroscopyPhysical chemistryCrystallographyComputational chemistryArsenicMoleculeSeleniumPhysicsOrganic chemistry

Abstract

fetched live from OpenAlex

The geometries, energies, and vibrational frequencies of various isomers of XO(4)(m-)(H2O)n, x = Cl, Br, Se, As, V; n = 0-6, m = 1-3 are calculated at various levels up to MP2/6-31+G*. These properties are studied as a function of increasing cluster size. The experimental and theoretical vibrational spectra are compared where available.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.391
Threshold uncertainty score0.168

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.016
GPT teacher head0.187
Teacher spread0.171 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations15
Published2011
Admission routes2
Has abstractyes

Explore more

Same venueThe Journal of Physical Chemistry ASame topicAtmospheric Ozone and ClimateFrench-language works237,207